[lammps-users] query about special bonds

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1

Dear Steve, Users,

I have a quick question. If we switch on the special bonds for 1-2, 1-3 1-4 interactions (for non-bonded case), does it affect the bonded interactions or are these on the top of bonded interactions? I ran some test simulations with different factors for 1-2,1-3 and 1-4 interactions and the bond and angle energies did not change at all, although the overall vdwl energy got modified.

Regards,
Vikas

2

Dear Vikas,

You observed the expected behavior. The special bonds are on top of the normal bonded interactions and should not affect the bond or angle energies.

Joanne

3

Dear Joanne,
Thank you very much for the clarification.

Regards,
Vikas